(2-phenylethanoylamino) 7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (2-phenylethanoylamino) 7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [(2-phenylacetyl)amino] 7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(1-oxo-2-phenylethyl)amino] ester IUPAC Name: [(2-phenylacetyl)amino] 7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-formamido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(2-phenylacetyl)amino] ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)NC=O)C(=O)ONC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)NC=O)C(=O)ONC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H15N3O5S/c20-9-17-13-14(22)19-11(6-7-25-15(13)19)16(23)24-18-12(21)8-10-4-2-1-3-5-10/h1-6,9,13,15H,7-8H2,(H,17,20)(H,18,21)